Geometry & MOs

Info

ID:

447069

PubChem CID:

135280008

Reduced:

N5H33C58 (1)

Stoich.:

A5B33C58 (1)

Weight, g/mol:

423.158292

ΔHf, kcal/mol:

300.15

Dipole, Da:

3.18

IP(EA), eV:

 -7.59(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[1-(1-prop-2-enoylazetidin-3-yl)benzimidazol-5-yl]naphthalen-2-yl] prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4C5=CC=CC=C5N6C7=CC=C(C8=CC=CC(=C87)C9=C6C4=CC=C9)C1=CC2=C(C=C1)N1C3=CC=CC=C3C3=CC=CC4=C3C1=C2C=C4

DOS

IR

Vibrations